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Substance Name: Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester
RN: 139359-11-8
InChIKey: OIPRCIMWHWMSIZ-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-N2-O6-S

Molecular Weight

  • 300.2898
 
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Names and Synonyms

  • Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 139359-11-8

System Generated Number

  • 0139359118

Structure Descriptors

InChI

1S/C11H12N2O6S/c1-7(2)19-11(14)6-20-10-4-3-8(12(15)16)5-9(10)13(17)18/h3-5,7H,6H2,1-2H3

InChIKey

OIPRCIMWHWMSIZ-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.81 (none)   EXP
Water Solubility 19.9 mg/L 25 EST
Vapor Pressure 2.78E-07 mm Hg 25 EST
Henry's Law Constant 1.03E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.89E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.